2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C19H16F3N3O2S — CID 67662557

IUPAC2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c(C2CC2)c1-c1ccccc1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)18-16(12-10-11-12)17(13-6-2-1-3-7-13)25(24-18)14-8-4-5-9-15(14)28(23,26)27/h1-9,12H,10-11H2,(H2,23,26,27)
InChIKeyITCBDRRIZPQHOP-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.08
Rot. Bonds4

About 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 67662557) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID67662557
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c(C2CC2)c1-c1ccccc1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)18-16(12-10-11-12)17(13-6-2-1-3-7-13)25(24-18)14-8-4-5-9-15(14)28(23,26)27/h1-9,12H,10-11H2,(H2,23,26,27)
InChIKeyITCBDRRIZPQHOP-UHFFFAOYSA-N
XLogP4.08
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 67662557) is 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-n1nc(C(F)(F)F)c(C2CC2)c1-c1ccccc1.
What is the InChIKey of 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is ITCBDRRIZPQHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)18-16(12-10-11-12)17(13-6-2-1-3-7-13)25(24-18)14-8-4-5-9-15(14)28(23,26)27/h1-9,12H,10-11H2,(H2,23,26,27).
What are the key properties of 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 407.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 67662557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).